N-[4-[[4-[5-(1,2-dithiolan-3-yl)pentanoyl]-1,4-diazepan-1-yl]methyl]phenyl]ethanamide

Systemtic Name: N-[4-[[4-[5-(1,2-dithiolan-3-yl)pentanoyl]-1,4-diazepan-1-yl]methyl]phenyl]ethanamide Openeye Name: N-[4-[[4-[5-(dithiolan-3-yl)pentanoyl]-1,4-diazepan-1-yl]methyl]phenyl]acetamide CAS Name: N-[4-[[4-[5-(3-dithiolanyl)-1-oxopentyl]-1,4-diazepan-1-yl]methyl]phenyl]acetamide IUPAC Name: N-[4-[[4-[5-(dithiolan-3-yl)pentanoyl]-1,4-diazepan-1-yl]methyl]phenyl]acetamide Traditional Name: N-[4-[[4-[5-(dithiolan-3-yl)pentanoyl]-1,4-diazepan-1-yl]methyl]phenyl]acetamide Formula: C22H33N3O2S2 MolecularWeight: 435.64632

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)CN2CCCN(CC2)C(=O)CCCCC3CCSS3

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)CN2CCCN(CC2)C(=O)CCCCC3CCSS3

InChI

InChI=1S/C22H33N3O2S2/c1-18(26)23-20-9-7-19(8-10-20)17-24-12-4-13-25(15-14-24)22(27)6-3-2-5-21-11-16-28-29-21/h7-10,21H,2-6,11-17H2,1H3,(H,23,26)